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

C14H15N5S — CID 86808820

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cn[nH]c2-c2cccnc2)cs1
InChIInChI=1S/C14H15N5S/c1-10-18-13(9-20-10)8-16-6-12-7-17-19-14(12)11-3-2-4-15-5-11/h2-5,7,9,16H,6,8H2,1H3,(H,17,19)
InChIKeyBMNPWHSACTXVJH-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.53
Rot. Bonds5

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

1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 86808820) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID86808820
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cn[nH]c2-c2cccnc2)cs1
InChIInChI=1S/C14H15N5S/c1-10-18-13(9-20-10)8-16-6-12-7-17-19-14(12)11-3-2-4-15-5-11/h2-5,7,9,16H,6,8H2,1H3,(H,17,19)
InChIKeyBMNPWHSACTXVJH-UHFFFAOYSA-N
XLogP2.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 86808820) is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine is Cc1nc(CNCc2cn[nH]c2-c2cccnc2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is BMNPWHSACTXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-10-18-13(9-20-10)8-16-6-12-7-17-19-14(12)11-3-2-4-15-5-11/h2-5,7,9,16H,6,8H2,1H3,(H,17,19).
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 285.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86808820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).