N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride

C12H23ClN2S — CID 115589570

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride
SMILESCCCC(C)NCc1csc(C(C)C)n1.Cl
InChIInChI=1S/C12H22N2S.ClH/c1-5-6-10(4)13-7-11-8-15-12(14-11)9(2)3;/h8-10,13H,5-7H2,1-4H3;1H
InChIKeyYQOHPICNPCXZHE-UHFFFAOYSA-N
MW262.85 g/mol
LogP3.97
Rot. Bonds6

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride (PubChem CID 115589570) has the molecular formula C12H23ClN2S and a molecular weight of 262.85 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride
PubChem CID115589570
Molecular FormulaC12H23ClN2S
Molecular Weight262.85 g/mol
Exact Mass262.13
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride
SMILESCCCC(C)NCc1csc(C(C)C)n1.Cl
InChIInChI=1S/C12H22N2S.ClH/c1-5-6-10(4)13-7-11-8-15-12(14-11)9(2)3;/h8-10,13H,5-7H2,1-4H3;1H
InChIKeyYQOHPICNPCXZHE-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.85
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-3-amine;hydrochloride
CID 115615153
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 115592544
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 103924364
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115589690
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride (CID 115589570) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride is CCCC(C)NCc1csc(C(C)C)n1.Cl.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride?
The InChIKey is YQOHPICNPCXZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S.ClH/c1-5-6-10(4)13-7-11-8-15-12(14-11)9(2)3;/h8-10,13H,5-7H2,1-4H3;1H.
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride has a molecular weight of 262.85 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride is sourced from PubChem (CID 115589570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).