1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide

C10H14N4O2S — CID 80596720

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(C(N)=NO)CC2)cs1
InChIInChI=1S/C10H14N4O2S/c1-6-13-7(5-17-6)4-12-9(15)10(2-3-10)8(11)14-16/h5,16H,2-4H2,1H3,(H2,11,14)(H,12,15)
InChIKeyQPNZTDXTGMPKPJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.59
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 80596720) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID80596720
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(C(N)=NO)CC2)cs1
InChIInChI=1S/C10H14N4O2S/c1-6-13-7(5-17-6)4-12-9(15)10(2-3-10)8(11)14-16/h5,16H,2-4H2,1H3,(H2,11,14)(H,12,15)
InChIKeyQPNZTDXTGMPKPJ-UHFFFAOYSA-N
XLogP0.59
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 76921358
1-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]cyclopropane-1-carboxamide
CID 80597501
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 76921463
1-(N'-hydroxycarbamimidoyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80593721
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 76921357
N-[(3-ethylthiophen-2-yl)methyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80593591
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
CID 76993739
1-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 80594149
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
4-(N'-hydroxycarbamimidoyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
CID 76988675
1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 80596873
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 106375738

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 80596720) is 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide is Cc1nc(CNC(=O)C2(C(N)=NO)CC2)cs1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QPNZTDXTGMPKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-13-7(5-17-6)4-12-9(15)10(2-3-10)8(11)14-16/h5,16H,2-4H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80596720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).