1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol

C14H20N4OS2 — CID 103384699

IUPAC1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1nc(-c2c(N)nsc2N(C)CC2(O)CCCC2)cs1
InChIInChI=1S/C14H20N4OS2/c1-9-16-10(7-20-9)11-12(15)17-21-13(11)18(2)8-14(19)5-3-4-6-14/h7,19H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeySFPPMVYFVGEADN-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.90
Rot. Bonds4

About 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol

1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 103384699) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID103384699
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1nc(-c2c(N)nsc2N(C)CC2(O)CCCC2)cs1
InChIInChI=1S/C14H20N4OS2/c1-9-16-10(7-20-9)11-12(15)17-21-13(11)18(2)8-14(19)5-3-4-6-14/h7,19H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeySFPPMVYFVGEADN-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol (CID 103384699) is 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol is Cc1nc(-c2c(N)nsc2N(C)CC2(O)CCCC2)cs1.
What is the InChIKey of 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is SFPPMVYFVGEADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-9-16-10(7-20-9)11-12(15)17-21-13(11)18(2)8-14(19)5-3-4-6-14/h7,19H,3-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 324.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103384699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).