2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine

C18H25N5S — CID 91223873

IUPAC2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
SMILESNc1csc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)n1
InChIInChI=1S/C18H25N5S/c19-17-13-24-18(21-17)20-14-3-5-15(6-4-14)23-11-7-16(8-12-23)22-9-1-2-10-22/h3-6,13,16H,1-2,7-12,19H2,(H,20,21)
InChIKeyFBYOPSWTFFUDRD-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.53
Rot. Bonds4

About 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine

2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine (PubChem CID 91223873) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
PubChem CID91223873
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
SMILESNc1csc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)n1
InChIInChI=1S/C18H25N5S/c19-17-13-24-18(21-17)20-14-3-5-15(6-4-14)23-11-7-16(8-12-23)22-9-1-2-10-22/h3-6,13,16H,1-2,7-12,19H2,(H,20,21)
InChIKeyFBYOPSWTFFUDRD-UHFFFAOYSA-N
XLogP3.53
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine
CID 141379231
[4-amino-2-[4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-hydroxyphenyl)methanone
CID 11503889
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452966
4-[4-amino-2-[4-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]anilino]-1,3-thiazole-5-carbonyl]benzoic acid
CID 11511961
1-[3-[4-amino-2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]propan-1-one
CID 157059197
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
[4-amino-2-[4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 11613326

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine (CID 91223873) is 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine is Nc1csc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)n1.
What is the InChIKey of 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
The InChIKey is FBYOPSWTFFUDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c19-17-13-24-18(21-17)20-14-3-5-15(6-4-14)23-11-7-16(8-12-23)22-9-1-2-10-22/h3-6,13,16H,1-2,7-12,19H2,(H,20,21).
What are the key properties of 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine has a molecular weight of 343.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 91223873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).