2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C12H13N3O2S2 — CID 113395741

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCc1nc(CNc2nc3c(s2)CCC3C(=O)O)cs1
InChIInChI=1S/C12H13N3O2S2/c1-6-14-7(5-18-6)4-13-12-15-10-8(11(16)17)2-3-9(10)19-12/h5,8H,2-4H2,1H3,(H,13,15)(H,16,17)
InChIKeyDRNCJVBABGQXGA-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.63
Rot. Bonds4

About 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 113395741) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID113395741
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCc1nc(CNc2nc3c(s2)CCC3C(=O)O)cs1
InChIInChI=1S/C12H13N3O2S2/c1-6-14-7(5-18-6)4-13-12-15-10-8(11(16)17)2-3-9(10)19-12/h5,8H,2-4H2,1H3,(H,13,15)(H,16,17)
InChIKeyDRNCJVBABGQXGA-UHFFFAOYSA-N
XLogP2.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 104592490
2-[(2-methylthiolan-2-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395819
2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106296034
2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114162848
2-(1H-imidazol-5-ylmethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 113395811
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65277152
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395760
(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 96621503
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 146135159
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 23609443

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 113395741) is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is Cc1nc(CNc2nc3c(s2)CCC3C(=O)O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is DRNCJVBABGQXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-6-14-7(5-18-6)4-13-12-15-10-8(11(16)17)2-3-9(10)19-12/h5,8H,2-4H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 295.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 113395741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).