2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide

C15H24N4O3S — CID 118934421

IUPAC2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide
SMILESCC(C)c1nc(CN(C(=O)NC(C(N)=O)C(C)O)C2CC2)cs1
InChIInChI=1S/C15H24N4O3S/c1-8(2)14-17-10(7-23-14)6-19(11-4-5-11)15(22)18-12(9(3)20)13(16)21/h7-9,11-12,20H,4-6H2,1-3H3,(H2,16,21)(H,18,22)
InChIKeyHYGXNONXSZYSCJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.18
Rot. Bonds7

About 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide

2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide (PubChem CID 118934421) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide.

Molecular Properties

Compound Name2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide
PubChem CID118934421
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide
SMILESCC(C)c1nc(CN(C(=O)NC(C(N)=O)C(C)O)C2CC2)cs1
InChIInChI=1S/C15H24N4O3S/c1-8(2)14-17-10(7-23-14)6-19(11-4-5-11)15(22)18-12(9(3)20)13(16)21/h7-9,11-12,20H,4-6H2,1-3H3,(H2,16,21)(H,18,22)
InChIKeyHYGXNONXSZYSCJ-UHFFFAOYSA-N
XLogP1.18
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
CID 10663834
1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 59131480
(2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-methylbutanoic acid;methoxycarbonyl-(oxomethylidene)-propan-2-ylazanium;methyl (2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-methylbutanoate;molecular iodine;N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine;triiodide
CID 158040694
(2S)-3-methyl-N-[4-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
CID 71076126
methyl 3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoate
CID 72525208
1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110030768
methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate
CID 10616209
1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 110747826
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-methoxypropanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 70868655
(2S)-2-[[ethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 10614110

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide?
The IUPAC name of 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide (CID 118934421) is 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide.
What is the SMILES notation for 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide?
The canonical SMILES for 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide is CC(C)c1nc(CN(C(=O)NC(C(N)=O)C(C)O)C2CC2)cs1.
What is the InChIKey of 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide?
The InChIKey is HYGXNONXSZYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-8(2)14-17-10(7-23-14)6-19(11-4-5-11)15(22)18-12(9(3)20)13(16)21/h7-9,11-12,20H,4-6H2,1-3H3,(H2,16,21)(H,18,22).
What are the key properties of 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide?
2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide has a molecular weight of 340.45 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide is sourced from PubChem (CID 118934421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).