2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide

C14H22N4O2S — CID 71990369

IUPAC2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C14H22N4O2S/c1-9(2)7-16-11(19)8-17-14(20)18-12(10-3-4-10)13-15-5-6-21-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyJWHXCCKIPHKMOE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.67
Rot. Bonds7

About 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide

2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 71990369) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID71990369
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C14H22N4O2S/c1-9(2)7-16-11(19)8-17-14(20)18-12(10-3-4-10)13-15-5-6-21-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyJWHXCCKIPHKMOE-UHFFFAOYSA-N
XLogP1.67
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ac-Leu-Arg-thiazol-2-yl
CID 127042543
Ac-Leu-D-Arg-thiazol-2-yl
CID 127042544
(S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-2-ureido-butyramide
CID 44453367
4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
CID 6857702
N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
CID 44411556
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986715
N-(methylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 72114766
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 72138586
1-[Cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 84585467
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide (CID 71990369) is 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(=O)NC(c1nccs1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is JWHXCCKIPHKMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9(2)7-16-11(19)8-17-14(20)18-12(10-3-4-10)13-15-5-6-21-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 71990369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).