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

C10H14N4S — CID 86776404

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2cn[nH]c2C)cs1
InChIInChI=1S/C10H14N4S/c1-7-9(4-12-14-7)3-11-5-10-6-15-8(2)13-10/h4,6,11H,3,5H2,1-2H3,(H,12,14)
InChIKeyNVPCJRZWRXORBZ-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.77
Rot. Bonds4

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 86776404) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID86776404
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2cn[nH]c2C)cs1
InChIInChI=1S/C10H14N4S/c1-7-9(4-12-14-7)3-11-5-10-6-15-8(2)13-10/h4,6,11H,3,5H2,1-2H3,(H,12,14)
InChIKeyNVPCJRZWRXORBZ-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 86776404) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCc2cn[nH]c2C)cs1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is NVPCJRZWRXORBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7-9(4-12-14-7)3-11-5-10-6-15-8(2)13-10/h4,6,11H,3,5H2,1-2H3,(H,12,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 222.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 86776404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).