N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine

C9H16N2S — CID 79824308

IUPACN,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESCNCC(C)CCc1nccs1
InChIInChI=1S/C9H16N2S/c1-8(7-10-2)3-4-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyOQCBSBGJNHYYKK-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.93
Rot. Bonds5

About N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine

N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 79824308) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID79824308
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESCNCC(C)CCc1nccs1
InChIInChI=1S/C9H16N2S/c1-8(7-10-2)3-4-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyOQCBSBGJNHYYKK-UHFFFAOYSA-N
XLogP1.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
2-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 61286207
benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
CID 57242368
5-(1,3-thiazol-2-yl)pentan-2-ol
CID 79824086
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216
N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823863
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine (CID 79824308) is N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine is CNCC(C)CCc1nccs1.
What is the InChIKey of N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is OQCBSBGJNHYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-8(7-10-2)3-4-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine?
N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 79824308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).