1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine

C7H10ClN5O2S — CID 173316069

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine
SMILESCCNC(=N[N+](=O)[O-])NCc1cnc(Cl)s1
InChIInChI=1S/C7H10ClN5O2S/c1-2-9-7(12-13(14)15)11-4-5-3-10-6(8)16-5/h3H,2,4H2,1H3,(H2,9,11,12)
InChIKeySYFCSXNYQAXSPC-UHFFFAOYSA-N
MW263.71 g/mol
LogP1.04
Rot. Bonds4

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine (PubChem CID 173316069) has the molecular formula C7H10ClN5O2S and a molecular weight of 263.71 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine
PubChem CID173316069
Molecular FormulaC7H10ClN5O2S
Molecular Weight263.71 g/mol
Exact Mass263.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine
SMILESCCNC(=N[N+](=O)[O-])NCc1cnc(Cl)s1
InChIInChI=1S/C7H10ClN5O2S/c1-2-9-7(12-13(14)15)11-4-5-3-10-6(8)16-5/h3H,2,4H2,1H3,(H2,9,11,12)
InChIKeySYFCSXNYQAXSPC-UHFFFAOYSA-N
XLogP1.04
TPSA92.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;urea
CID 137222702
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine
CID 172983341
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;N-[methoxy(methylsulfanyl)phosphoryl]acetamide
CID 135540769
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N',N'-dimethyl-1-nitroethene-1,2-diamine
CID 174271105
(E)-1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-N'-ethyl-1-N'-methyl-2-nitroethene-1,1-diamine
CID 141309830
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 135862994
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine
CID 135537100
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyano-3,3-dimethyl-2-nitroguanidine
CID 54156552
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;3-(difluoromethyl)-N-[2-(3,3-dimethylbutyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 135900244
1-ethyl-3-methyl-2-nitroguanidine;molecular iodine
CID 172972089
1-[(2-chlorotriazol-4-yl)methyl]-3-methyl-2-nitroguanidine
CID 142628325

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine (CID 173316069) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine is CCNC(=N[N+](=O)[O-])NCc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine?
The InChIKey is SYFCSXNYQAXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O2S/c1-2-9-7(12-13(14)15)11-4-5-3-10-6(8)16-5/h3H,2,4H2,1H3,(H2,9,11,12).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine has a molecular weight of 263.71 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine is sourced from PubChem (CID 173316069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).