N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

C9H11ClN4S — CID 104878846

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(CNCc2ncc(Cl)s2)cn1
InChIInChI=1S/C9H11ClN4S/c1-14-6-7(3-13-14)2-11-5-9-12-4-8(10)15-9/h3-4,6,11H,2,5H2,1H3
InChIKeyBTCUWYLXQQHPAU-UHFFFAOYSA-N
MW242.74 g/mol
LogP1.82
Rot. Bonds4

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 104878846) has the molecular formula C9H11ClN4S and a molecular weight of 242.74 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID104878846
Molecular FormulaC9H11ClN4S
Molecular Weight242.74 g/mol
Exact Mass242.04
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(CNCc2ncc(Cl)s2)cn1
InChIInChI=1S/C9H11ClN4S/c1-14-6-7(3-13-14)2-11-5-9-12-4-8(10)15-9/h3-4,6,11H,2,5H2,1H3
InChIKeyBTCUWYLXQQHPAU-UHFFFAOYSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.74
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 104878601
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 104879334
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104878878
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 102834954
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 104879601

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (CID 104878846) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is Cn1cc(CNCc2ncc(Cl)s2)cn1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is BTCUWYLXQQHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4S/c1-14-6-7(3-13-14)2-11-5-9-12-4-8(10)15-9/h3-4,6,11H,2,5H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 242.74 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 104878846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).