N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C15H19N3S2 — CID 62754444

IUPACN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESc1cc(CN(c2ncc(CNC3CC3)s2)C2CC2)cs1
InChIInChI=1S/C15H19N3S2/c1-2-12(1)16-7-14-8-17-15(20-14)18(13-3-4-13)9-11-5-6-19-10-11/h5-6,8,10,12-13,16H,1-4,7,9H2
InChIKeySZOYCAMWVZVEPA-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.63
Rot. Bonds7

About N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62754444) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62754444
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC NameN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESc1cc(CN(c2ncc(CNC3CC3)s2)C2CC2)cs1
InChIInChI=1S/C15H19N3S2/c1-2-12(1)16-7-14-8-17-15(20-14)18(13-3-4-13)9-11-5-6-19-10-11/h5-6,8,10,12-13,16H,1-4,7,9H2
InChIKeySZOYCAMWVZVEPA-UHFFFAOYSA-N
XLogP3.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754275
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62749687
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753295
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
5-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379171
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 107510098
N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 83185445
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 62754444) is N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is c1cc(CN(c2ncc(CNC3CC3)s2)C2CC2)cs1.
What is the InChIKey of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is SZOYCAMWVZVEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-2-12(1)16-7-14-8-17-15(20-14)18(13-3-4-13)9-11-5-6-19-10-11/h5-6,8,10,12-13,16H,1-4,7,9H2.
What are the key properties of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 305.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).