N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride

C8H15ClN2S — CID 11622565

IUPACN-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
SMILESCNCc1csc(C(C)C)n1.Cl
InChIInChI=1S/C8H14N2S.ClH/c1-6(2)8-10-7(4-9-3)5-11-8;/h5-6,9H,4H2,1-3H3;1H
InChIKeyMZHCXYATKCSZHX-UHFFFAOYSA-N
MW206.74 g/mol
LogP2.41
Rot. Bonds3

About N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride

N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride (PubChem CID 11622565) has the molecular formula C8H15ClN2S and a molecular weight of 206.74 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
PubChem CID11622565
Molecular FormulaC8H15ClN2S
Molecular Weight206.74 g/mol
Exact Mass206.06
IUPAC NameN-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
SMILESCNCc1csc(C(C)C)n1.Cl
InChIInChI=1S/C8H14N2S.ClH/c1-6(2)8-10-7(4-9-3)5-11-8;/h5-6,9H,4H2,1-3H3;1H
InChIKeyMZHCXYATKCSZHX-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
2-aminobutanedioic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11673884
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride
CID 115589570
N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 91664550
1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 75494045
3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 115592544
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-3-amine;hydrochloride
CID 115615153
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride (CID 11622565) is N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride is CNCc1csc(C(C)C)n1.Cl.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The InChIKey is MZHCXYATKCSZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.ClH/c1-6(2)8-10-7(4-9-3)5-11-8;/h5-6,9H,4H2,1-3H3;1H.
What are the key properties of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride?
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride has a molecular weight of 206.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 11622565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).