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

C12H21N3OS — CID 119897377

IUPAC4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1nc(C(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-9(2)10-8-17-12(15-10)7-14-11(16)5-4-6-13-3/h8-9,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyWTTWVYJUCWSWRS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.88
Rot. Bonds7

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

4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 119897377) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID119897377
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1nc(C(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-9(2)10-8-17-12(15-10)7-14-11(16)5-4-6-13-3/h8-9,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyWTTWVYJUCWSWRS-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.88
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-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119878856
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
CID 119882244
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649255
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 131951418

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide (CID 119897377) is 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide is CNCCCC(=O)NCc1nc(C(C)C)cs1.
What is the InChIKey of 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is WTTWVYJUCWSWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)10-8-17-12(15-10)7-14-11(16)5-4-6-13-3/h8-9,13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide?
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 119897377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).