2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide

C15H24N4O2S — CID 95614206

IUPAC2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide
SMILESC[C@H](NC(=O)NCC(=O)NC1CC1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H24N4O2S/c1-9(13-19-11(8-22-13)15(2,3)4)17-14(21)16-7-12(20)18-10-5-6-10/h8-10H,5-7H2,1-4H3,(H,18,20)(H2,16,17,21)/t9-/m0/s1
InChIKeyVZXUFIMEKKTXSA-VIFPVBQESA-N
MW324.45 g/mol
LogP2.08
Rot. Bonds5

About 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide

2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide (PubChem CID 95614206) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide
PubChem CID95614206
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide
SMILESC[C@H](NC(=O)NCC(=O)NC1CC1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H24N4O2S/c1-9(13-19-11(8-22-13)15(2,3)4)17-14(21)16-7-12(20)18-10-5-6-10/h8-10H,5-7H2,1-4H3,(H,18,20)(H2,16,17,21)/t9-/m0/s1
InChIKeyVZXUFIMEKKTXSA-VIFPVBQESA-N
XLogP2.08
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506063
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111106616
2-[1-(2-cyclopropylethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372441
2-[1-[(4-methylcyclohexyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375442
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95297523
2-[1-[3-(cyclopropylamino)propylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374308
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
(2R,5R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
CID 99812562
(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 104965896
1-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95331761

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide (CID 95614206) is 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide is C[C@H](NC(=O)NCC(=O)NC1CC1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide?
The InChIKey is VZXUFIMEKKTXSA-VIFPVBQESA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-9(13-19-11(8-22-13)15(2,3)4)17-14(21)16-7-12(20)18-10-5-6-10/h8-10H,5-7H2,1-4H3,(H,18,20)(H2,16,17,21)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide?
2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide has a molecular weight of 324.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 95614206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).