3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

C12H21N3OS — CID 61283822

IUPAC3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCNC(C)(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-9-15-10(8-17-9)7-13-11(16)5-6-14-12(2,3)4/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyDUJHZKYAPQCRQK-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.85
Rot. Bonds5

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

3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 61283822) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID61283822
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCNC(C)(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-9-15-10(8-17-9)7-13-11(16)5-6-14-12(2,3)4/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyDUJHZKYAPQCRQK-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62211468
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
1-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47237480
3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61281880
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 61284018
3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108737351
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
2-[[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527040

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 61283822) is 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)CCNC(C)(C)C)cs1.
What is the InChIKey of 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is DUJHZKYAPQCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-15-10(8-17-9)7-13-11(16)5-6-14-12(2,3)4/h8,14H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 61283822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).