4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide

C11H15N7OS2 — CID 116673666

IUPAC4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nsc(NC(=O)c2sc(N3CCC(N)C3)nc2N)n1
InChIInChI=1S/C11H15N7OS2/c1-5-14-10(21-17-5)16-9(19)7-8(13)15-11(20-7)18-3-2-6(12)4-18/h6H,2-4,12-13H2,1H3,(H,14,16,17,19)
InChIKeyXPNLXYGNEAOTKN-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.67
Rot. Bonds3

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

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116673666) has the molecular formula C11H15N7OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID116673666
Molecular FormulaC11H15N7OS2
Molecular Weight325.42 g/mol
Exact Mass325.08
IUPAC Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nsc(NC(=O)c2sc(N3CCC(N)C3)nc2N)n1
InChIInChI=1S/C11H15N7OS2/c1-5-14-10(21-17-5)16-9(19)7-8(13)15-11(20-7)18-3-2-6(12)4-18/h6H,2-4,12-13H2,1H3,(H,14,16,17,19)
InChIKeyXPNLXYGNEAOTKN-UHFFFAOYSA-N
XLogP0.67
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668980
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-but-2-ynyl-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116673785
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116672973
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 116667593
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670754
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666789

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide (CID 116673666) is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide is Cc1nsc(NC(=O)c2sc(N3CCC(N)C3)nc2N)n1.
What is the InChIKey of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XPNLXYGNEAOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS2/c1-5-14-10(21-17-5)16-9(19)7-8(13)15-11(20-7)18-3-2-6(12)4-18/h6H,2-4,12-13H2,1H3,(H,14,16,17,19).
What are the key properties of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).