N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine

C9H12N4S — CID 60999909

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
SMILESCc1nc(CNCc2cn[nH]c2)cs1
InChIInChI=1S/C9H12N4S/c1-7-13-9(6-14-7)5-10-2-8-3-11-12-4-8/h3-4,6,10H,2,5H2,1H3,(H,11,12)
InChIKeyDLYWDLPKMDIXEE-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.46
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 60999909) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
PubChem CID60999909
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
SMILESCc1nc(CNCc2cn[nH]c2)cs1
InChIInChI=1S/C9H12N4S/c1-7-13-9(6-14-7)5-10-2-8-3-11-12-4-8/h3-4,6,10H,2,5H2,1H3,(H,11,12)
InChIKeyDLYWDLPKMDIXEE-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 115603242
1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 61000037
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61282805
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
1-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961012
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552
1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79978863
2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 79832344
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine (CID 60999909) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine is Cc1nc(CNCc2cn[nH]c2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is DLYWDLPKMDIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-13-9(6-14-7)5-10-2-8-3-11-12-4-8/h3-4,6,10H,2,5H2,1H3,(H,11,12).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 60999909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).