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

C13H20N4OS — CID 62792040

IUPAC2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H20N4OS/c1-8-11(19-13(14)16-8)12(18)15-6-9-4-5-17(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyIPFHQXPBKVHOJP-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.25
Rot. Bonds4

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

2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62792040) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62792040
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H20N4OS/c1-8-11(19-13(14)16-8)12(18)15-6-9-4-5-17(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyIPFHQXPBKVHOJP-UHFFFAOYSA-N
XLogP1.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 113487603
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051
2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 55115770
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 81092770
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 62792040) is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IPFHQXPBKVHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8-11(19-13(14)16-8)12(18)15-6-9-4-5-17(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62792040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).