4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C13H21N5O2S — CID 106918863

IUPAC4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H21N5O2S/c1-15-9(19)5-8-17(2)12(20)10-11(14)16-13(21-10)18-6-3-4-7-18/h3-8,14H2,1-2H3,(H,15,19)
InChIKeyQWZSLHNQGRJFMI-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.53
Rot. Bonds5

About 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 106918863) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID106918863
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H21N5O2S/c1-15-9(19)5-8-17(2)12(20)10-11(14)16-13(21-10)18-6-3-4-7-18/h3-8,14H2,1-2H3,(H,15,19)
InChIKeyQWZSLHNQGRJFMI-UHFFFAOYSA-N
XLogP0.53
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-methoxyethyl)-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116663288
4-amino-N-(2-amino-2-oxoethyl)-2-(azepan-1-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669853
4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116671563
4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668307
4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443
4-amino-N-[4-(dimethylamino)butyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665012
4-amino-N-cyclopentyl-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669506
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669758
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-2-(2-methoxyethylamino)-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 106918867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 106918863) is 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CNC(=O)CCN(C)C(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QWZSLHNQGRJFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-15-9(19)5-8-17(2)12(20)10-11(14)16-13(21-10)18-6-3-4-7-18/h3-8,14H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106918863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).