N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

C16H24N4OS — CID 72878755

IUPACN,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)CCCc1cnn(C)c1
InChIInChI=1S/C16H24N4OS/c1-11(2)15-18-12(3)14(22-15)16(21)19(4)8-6-7-13-9-17-20(5)10-13/h9-11H,6-8H2,1-5H3
InChIKeyJVQCBVKDEVEGNA-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.01
Rot. Bonds6

About N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 72878755) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID72878755
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)CCCc1cnn(C)c1
InChIInChI=1S/C16H24N4OS/c1-11(2)15-18-12(3)14(22-15)16(21)19(4)8-6-7-13-9-17-20(5)10-13/h9-11H,6-8H2,1-5H3
InChIKeyJVQCBVKDEVEGNA-UHFFFAOYSA-N
XLogP3.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 72878755) is N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N(C)CCCc1cnn(C)c1.
What is the InChIKey of N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JVQCBVKDEVEGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-11(2)15-18-12(3)14(22-15)16(21)19(4)8-6-7-13-9-17-20(5)10-13/h9-11H,6-8H2,1-5H3.
What are the key properties of N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72878755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).