2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

C14H21N5OS — CID 162638334

IUPAC2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCCn1nc(NC(=O)c2csc(CN(C)C)n2)cc1C
InChIInChI=1S/C14H21N5OS/c1-5-6-19-10(2)7-12(17-19)16-14(20)11-9-21-13(15-11)8-18(3)4/h7,9H,5-6,8H2,1-4H3,(H,16,17,20)
InChIKeyNJJYHFZQXKKYOP-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.37
Rot. Bonds6

About 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 162638334) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID162638334
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCCn1nc(NC(=O)c2csc(CN(C)C)n2)cc1C
InChIInChI=1S/C14H21N5OS/c1-5-6-19-10(2)7-12(17-19)16-14(20)11-9-21-13(15-11)8-18(3)4/h7,9H,5-6,8H2,1-4H3,(H,16,17,20)
InChIKeyNJJYHFZQXKKYOP-UHFFFAOYSA-N
XLogP2.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 162638334) is 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is CCCn1nc(NC(=O)c2csc(CN(C)C)n2)cc1C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NJJYHFZQXKKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-6-19-10(2)7-12(17-19)16-14(20)11-9-21-13(15-11)8-18(3)4/h7,9H,5-6,8H2,1-4H3,(H,16,17,20).
What are the key properties of 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162638334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).