4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C14H25N5OS — CID 116668307

IUPAC4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-4-5-6-18(3)13(20)11-12(15)16-14(21-11)19-9-7-17(2)8-10-19/h4-10,15H2,1-3H3
InChIKeyOPKRPCGKFTUQER-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.35
Rot. Bonds5

About 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116668307) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID116668307
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-4-5-6-18(3)13(20)11-12(15)16-14(21-11)19-9-7-17(2)8-10-19/h4-10,15H2,1-3H3
InChIKeyOPKRPCGKFTUQER-UHFFFAOYSA-N
XLogP1.35
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116671563
4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673968
4-amino-N-(2-methoxyethyl)-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116663288
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106918863
4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116672356
4-amino-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116663282
4-amino-N-(2-amino-2-oxoethyl)-2-(azepan-1-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669853
4-amino-N-(3-hydroxybutyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673878
4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667677
[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 116670854
4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671879
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670754

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 116668307) is 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CCCCN(C)C(=O)c1sc(N2CCN(C)CC2)nc1N.
What is the InChIKey of 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is OPKRPCGKFTUQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-4-5-6-18(3)13(20)11-12(15)16-14(21-11)19-9-7-17(2)8-10-19/h4-10,15H2,1-3H3.
What are the key properties of 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).