N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide

C11H19N3OS — CID 61044456

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1csc(CNC(=O)CCNC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-5-4-10(15)13-6-11-14-9(3)7-16-11/h7-8,12H,4-6H2,1-3H3,(H,13,15)
InChIKeyKVMJYWPBFZYLKD-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.46
Rot. Bonds6

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 61044456) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID61044456
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1csc(CNC(=O)CCNC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-5-4-10(15)13-6-11-14-9(3)7-16-11/h7-8,12H,4-6H2,1-3H3,(H,13,15)
InChIKeyKVMJYWPBFZYLKD-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 47048123
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
7-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119839230
tert-butyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-4-oxobutanoate
CID 106707202
3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29278184
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897377

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide (CID 61044456) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide is Cc1csc(CNC(=O)CCNC(C)C)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is KVMJYWPBFZYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)12-5-4-10(15)13-6-11-14-9(3)7-16-11/h7-8,12H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 241.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 61044456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).