2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride

C10H18ClN3S — CID 120966476

IUPAC2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride
SMILESCC(CN)(NCc1nccs1)C1CC1.Cl
InChIInChI=1S/C10H17N3S.ClH/c1-10(7-11,8-2-3-8)13-6-9-12-4-5-14-9;/h4-5,8,13H,2-3,6-7,11H2,1H3;1H
InChIKeyUHZRXKUGTQLJQM-UHFFFAOYSA-N
MW247.79 g/mol
LogP1.78
Rot. Bonds5

About 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride

2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride (PubChem CID 120966476) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride
PubChem CID120966476
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC Name2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride
SMILESCC(CN)(NCc1nccs1)C1CC1.Cl
InChIInChI=1S/C10H17N3S.ClH/c1-10(7-11,8-2-3-8)13-6-9-12-4-5-14-9;/h4-5,8,13H,2-3,6-7,11H2,1H3;1H
InChIKeyUHZRXKUGTQLJQM-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 63001484
4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 130519810
3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462024
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595
1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030981
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
3-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
CID 64923336
2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
CID 65266835
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride?
The IUPAC name of 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride (CID 120966476) is 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride is CC(CN)(NCc1nccs1)C1CC1.Cl.
What is the InChIKey of 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride?
The InChIKey is UHZRXKUGTQLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.ClH/c1-10(7-11,8-2-3-8)13-6-9-12-4-5-14-9;/h4-5,8,13H,2-3,6-7,11H2,1H3;1H.
What are the key properties of 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride?
2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride has a molecular weight of 247.79 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120966476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).