N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

C15H21N3S2 — CID 62752585

IUPACN-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C15H21N3S2/c1-2-7-16-9-14-10-17-15(20-14)18(12-5-6-12)11-13-4-3-8-19-13/h3-4,8,10,12,16H,2,5-7,9,11H2,1H3
InChIKeyQHJWYVFITANEDJ-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.87
Rot. Bonds8

About N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62752585) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62752585
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC NameN-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C15H21N3S2/c1-2-7-16-9-14-10-17-15(20-14)18(12-5-6-12)11-13-4-3-8-19-13/h3-4,8,10,12,16H,2,5-7,9,11H2,1H3
InChIKeyQHJWYVFITANEDJ-UHFFFAOYSA-N
XLogP3.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754275
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61449230
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766335
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752533
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79490864

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (CID 62752585) is N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(Cc2cccs2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is QHJWYVFITANEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-2-7-16-9-14-10-17-15(20-14)18(12-5-6-12)11-13-4-3-8-19-13/h3-4,8,10,12,16H,2,5-7,9,11H2,1H3.
What are the key properties of N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 307.49 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).