N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C11H22N2S — CID 107857597

IUPACN-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NC(C(C)C)CS1
InChIInChI=1S/C11H22N2S/c1-5-9(6-2)12-11-13-10(7-14-11)8(3)4/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyMZQJLDRZJSLOIE-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.89
Rot. Bonds4

About N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107857597) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107857597
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NC(C(C)C)CS1
InChIInChI=1S/C11H22N2S/c1-5-9(6-2)12-11-13-10(7-14-11)8(3)4/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyMZQJLDRZJSLOIE-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857892
4-ethyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439588
(4S)-N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247122
(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247412
(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985799
1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine
CID 83017609
N-[1-(oxolan-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858180
N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107857799
N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858161
(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 143926182
(4S)-N-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115564682
N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107858115

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107857597) is N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)NC1=NC(C(C)C)CS1.
What is the InChIKey of N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MZQJLDRZJSLOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-5-9(6-2)12-11-13-10(7-14-11)8(3)4/h8-10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107857597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).