N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide

C11H19N3OS — CID 60850227

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCc1csc(NC(=O)CCCNC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-6-4-5-10(15)14-11-13-9(3)7-16-11/h7-8,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyCXLZHKQXJYEJBY-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.17
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide

N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 60850227) 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)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
PubChem CID60850227
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCc1csc(NC(=O)CCCNC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-6-4-5-10(15)14-11-13-9(3)7-16-11/h7-8,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyCXLZHKQXJYEJBY-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 54958630
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
tert-butyl N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 47116057
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
CID 114912385
N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 113392289
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110678667
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47123357
5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 28931974
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide (CID 60850227) is N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide is Cc1csc(NC(=O)CCCNC(C)C)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is CXLZHKQXJYEJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)12-6-4-5-10(15)14-11-13-9(3)7-16-11/h7-8,12H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 241.36 g/mol, XLogP of 2.17, 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)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).