(2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide

C11H16F3N5O3S — CID 59713242

IUPAC(2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide
SMILESNC(=O)NCCC[C@@H](N)C(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C11H16F3N5O3S/c12-11(13,14)7-6(4-20)23-10(18-7)19-8(21)5(15)2-1-3-17-9(16)22/h5,20H,1-4,15H2,(H3,16,17,22)(H,18,19,21)/t5-/m1/s1
InChIKeyRGGNLACWBLLDCF-RXMQYKEDSA-N
MW355.34 g/mol
LogP0.37
Rot. Bonds7

About (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide

(2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 59713242) has the molecular formula C11H16F3N5O3S and a molecular weight of 355.34 g/mol. Its IUPAC name is (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide
PubChem CID59713242
Molecular FormulaC11H16F3N5O3S
Molecular Weight355.34 g/mol
Exact Mass355.09
IUPAC Name(2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide
SMILESNC(=O)NCCC[C@@H](N)C(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C11H16F3N5O3S/c12-11(13,14)7-6(4-20)23-10(18-7)19-8(21)5(15)2-1-3-17-9(16)22/h5,20H,1-4,15H2,(H3,16,17,22)(H,18,19,21)/t5-/m1/s1
InChIKeyRGGNLACWBLLDCF-RXMQYKEDSA-N
XLogP0.37
TPSA143.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide
CID 59713235
tert-butyl N-[(2R)-1-[[(2R)-5-(carbamoylamino)-1-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59713244
N-[(2R)-1-[[(2R)-5-(carbamoylamino)-1-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 59713252
tert-butyl N-[(2R)-5-(carbamoylamino)-1-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 59713255
2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 138459320
tert-butyl N-[2-[[2-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 138459326
tert-butyl N-[2-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 138459412
2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea
CID 142543292
tert-butyl N-[2-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate;propylurea
CID 142543303
N-[(2R)-1-[[(2R)-5-(carbamoylamino)-1-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
CID 143098163
tert-butyl N-[1-[[(2R)-5-(carbamoylamino)-1-[[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 155077622

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide (CID 59713242) is (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide is NC(=O)NCCC[C@@H](N)C(=O)Nc1nc(C(F)(F)F)c(CO)s1.
What is the InChIKey of (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is RGGNLACWBLLDCF-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H16F3N5O3S/c12-11(13,14)7-6(4-20)23-10(18-7)19-8(21)5(15)2-1-3-17-9(16)22/h5,20H,1-4,15H2,(H3,16,17,22)(H,18,19,21)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide?
(2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 355.34 g/mol, XLogP of 0.37, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(carbamoylamino)-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 59713242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).