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

C13H21N5OS — CID 116669705

IUPAC4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)NCC1CCC1
InChIInChI=1S/C13H21N5OS/c14-9-4-5-18(7-9)13-17-11(15)10(20-13)12(19)16-6-8-2-1-3-8/h8-9H,1-7,14-15H2,(H,16,19)
InChIKeyCSJYTZVSCOMLGP-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.79
Rot. Bonds4

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

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669705) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116669705
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)NCC1CCC1
InChIInChI=1S/C13H21N5OS/c14-9-4-5-18(7-9)13-17-11(15)10(20-13)12(19)16-6-8-2-1-3-8/h8-9H,1-7,14-15H2,(H,16,19)
InChIKeyCSJYTZVSCOMLGP-UHFFFAOYSA-N
XLogP0.79
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(3-aminopiperidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669721
4-amino-2-(3-aminopyrrolidin-1-yl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116674057
4-amino-2-(3-aminopyrrolidin-1-yl)-N-but-2-ynyl-1,3-thiazole-5-carboxamide
CID 116673068
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
CID 116673365
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116672973
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666789
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-hex-5-ynyl-1,3-thiazole-5-carboxamide
CID 106215809
4-amino-2-(3-aminopiperidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669739
4-amino-2-(3-aminopiperidin-1-yl)-N-(2-chloroprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 116672644
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670886
4-amino-N-(2-aminoethyl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116662899

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide (CID 116669705) is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide is Nc1nc(N2CCC(N)C2)sc1C(=O)NCC1CCC1.
What is the InChIKey of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CSJYTZVSCOMLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c14-9-4-5-18(7-9)13-17-11(15)10(20-13)12(19)16-6-8-2-1-3-8/h8-9H,1-7,14-15H2,(H,16,19).
What are the key properties of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).