N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C18H29N5OS — CID 71876502

IUPACN-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnc(-c2cnn(C)c2)s1)CC(C)C
InChIInChI=1S/C18H29N5OS/c1-6-23(7-2)15(8-13(3)4)10-19-17(24)16-11-20-18(25-16)14-9-21-22(5)12-14/h9,11-13,15H,6-8,10H2,1-5H3,(H,19,24)
InChIKeyQZQIWSMYPFYNLT-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.03
Rot. Bonds9

About N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71876502) has the molecular formula C18H29N5OS and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID71876502
Molecular FormulaC18H29N5OS
Molecular Weight363.53 g/mol
Exact Mass363.21
IUPAC NameN-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnc(-c2cnn(C)c2)s1)CC(C)C
InChIInChI=1S/C18H29N5OS/c1-6-23(7-2)15(8-13(3)4)10-19-17(24)16-11-20-18(25-16)14-9-21-22(5)12-14/h9,11-13,15H,6-8,10H2,1-5H3,(H,19,24)
InChIKeyQZQIWSMYPFYNLT-UHFFFAOYSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 71876502) is N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is CCN(CC)C(CNC(=O)c1cnc(-c2cnn(C)c2)s1)CC(C)C.
What is the InChIKey of N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is QZQIWSMYPFYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5OS/c1-6-23(7-2)15(8-13(3)4)10-19-17(24)16-11-20-18(25-16)14-9-21-22(5)12-14/h9,11-13,15H,6-8,10H2,1-5H3,(H,19,24).
What are the key properties of N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71876502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).