N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine

C12H18N4O2S — CID 106641069

IUPACN-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(N(CC2CCCCN2)C2CC2)s1
InChIInChI=1S/C12H18N4O2S/c17-16(18)11-7-14-12(19-11)15(10-4-5-10)8-9-3-1-2-6-13-9/h7,9-10,13H,1-6,8H2
InChIKeyKBCLRBTZHLZTMB-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.16
Rot. Bonds5

About N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine

N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 106641069) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID106641069
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(N(CC2CCCCN2)C2CC2)s1
InChIInChI=1S/C12H18N4O2S/c17-16(18)11-7-14-12(19-11)15(10-4-5-10)8-9-3-1-2-6-13-9/h7,9-10,13H,1-6,8H2
InChIKeyKBCLRBTZHLZTMB-UHFFFAOYSA-N
XLogP2.16
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620958
3-[cyclopropyl-(5-nitro-1,3-thiazol-2-yl)amino]propanoic acid
CID 102769699
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106641188
N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine
CID 106641007
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
N-cyclopropyl-5-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600034
N-(azetidin-3-yl)-N-ethyl-5-nitro-1,3-thiazol-2-amine
CID 102771398
N-cyclopropyl-2-iodo-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640984
N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641136
N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600259
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640995
2-bromo-N-cyclopropyl-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640951

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine (CID 106641069) is N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(N(CC2CCCCN2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is KBCLRBTZHLZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c17-16(18)11-7-14-12(19-11)15(10-4-5-10)8-9-3-1-2-6-13-9/h7,9-10,13H,1-6,8H2.
What are the key properties of N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 106641069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).