1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine

C10H18N2S — CID 65168639

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCC(N)Cc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S/c1-4-5-9(11)6-10-12-7(2)8(3)13-10/h9H,4-6,11H2,1-3H3
InChIKeyPIEDNQJELJCCHF-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.43
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 65168639) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID65168639
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCC(N)Cc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S/c1-4-5-9(11)6-10-12-7(2)8(3)13-10/h9H,4-6,11H2,1-3H3
InChIKeyPIEDNQJELJCCHF-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine
CID 103028643
1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169254
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 105019585
azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718790
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454583
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280231
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine
CID 82066801
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine (CID 65168639) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine is CCCC(N)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is PIEDNQJELJCCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-9(11)6-10-12-7(2)8(3)13-10/h9H,4-6,11H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 65168639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).