2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

C11H17N3OS — CID 61044328

IUPAC2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)C(C)(N)C2CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-9(14-7)5-13-10(15)11(2,12)8-3-4-8/h6,8H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyDJWJCAQGGMQCDZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.20
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 61044328) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID61044328
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)C(C)(N)C2CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-9(14-7)5-13-10(15)11(2,12)8-3-4-8/h6,8H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyDJWJCAQGGMQCDZ-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60867878
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 51082353
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104574977
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 113270800
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
3-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 64700096
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480
3,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-oxopentanoic acid
CID 62934592
2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315956

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 61044328) is 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1csc(CNC(=O)C(C)(N)C2CC2)n1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is DJWJCAQGGMQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-6-16-9(14-7)5-13-10(15)11(2,12)8-3-4-8/h6,8H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 239.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 61044328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).