N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide

C12H19N3OS — CID 112728360

IUPACN-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCc1ncc(CNCCCC(=O)NC2CC2)s1
InChIInChI=1S/C12H19N3OS/c1-9-14-8-11(17-9)7-13-6-2-3-12(16)15-10-4-5-10/h8,10,13H,2-7H2,1H3,(H,15,16)
InChIKeyPFMXFFZXHUVONN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.60
Rot. Bonds7

About N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide

N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide (PubChem CID 112728360) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
PubChem CID112728360
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCc1ncc(CNCCCC(=O)NC2CC2)s1
InChIInChI=1S/C12H19N3OS/c1-9-14-8-11(17-9)7-13-6-2-3-12(16)15-10-4-5-10/h8,10,13H,2-7H2,1H3,(H,15,16)
InChIKeyPFMXFFZXHUVONN-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.60
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

N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115639558
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60777585
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 60981942
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
N-cyclopropyl-4-(1H-imidazol-5-ylmethylamino)butanamide
CID 78921180
N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
CID 112732619
tert-butyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 78943314
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide (CID 112728360) is N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide is Cc1ncc(CNCCCC(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The InChIKey is PFMXFFZXHUVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-14-8-11(17-9)7-13-6-2-3-12(16)15-10-4-5-10/h8,10,13H,2-7H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide has a molecular weight of 253.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide is sourced from PubChem (CID 112728360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).