2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine

C14H13N7O2S2 — CID 24830655

IUPAC2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
SMILESCc1nc(N=C(N)N)sc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H13N7O2S2/c1-7-11(25-14(17-7)20-12(15)16)10-6-24-13(19-10)18-8-2-4-9(5-3-8)21(22)23/h2-6H,1H3,(H,18,19)(H4,15,16,17,20)
InChIKeyPFCBFEQKASYUCX-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine

2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine (PubChem CID 24830655) has the molecular formula C14H13N7O2S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
PubChem CID24830655
Molecular FormulaC14H13N7O2S2
Molecular Weight375.44 g/mol
Exact Mass375.06
IUPAC Name2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
SMILESCc1nc(N=C(N)N)sc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H13N7O2S2/c1-7-11(25-14(17-7)20-12(15)16)10-6-24-13(19-10)18-8-2-4-9(5-3-8)21(22)23/h2-6H,1H3,(H,18,19)(H4,15,16,17,20)
InChIKeyPFCBFEQKASYUCX-UHFFFAOYSA-N
XLogP3.13
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine
CID 143561890
4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867135
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 135223031
N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 90730964
N-(3-chloro-4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 19132871
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
sodium;1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone;4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;(4-nitrophenyl)thiourea;oxolane;hydroxide
CID 167667125
1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
CID 2877428
ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzoate;hydrobromide
CID 160990265
N-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]-4-nitrobenzamide
CID 3954610

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine (CID 24830655) is 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine is Cc1nc(N=C(N)N)sc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is PFCBFEQKASYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2S2/c1-7-11(25-14(17-7)20-12(15)16)10-6-24-13(19-10)18-8-2-4-9(5-3-8)21(22)23/h2-6H,1H3,(H,18,19)(H4,15,16,17,20).
What are the key properties of 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 375.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 24830655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).