N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

C14H18N6S — CID 126887241

IUPACN-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nnc(C4CC4)s3)CC2)ncn1
InChIInChI=1S/C14H18N6S/c1-2-10(1)13-18-19-14(21-13)20-7-4-11(5-8-20)17-12-3-6-15-9-16-12/h3,6,9-11H,1-2,4-5,7-8H2,(H,15,16,17)
InChIKeyMJRAJYFCSAPCGG-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.29
Rot. Bonds4

About N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887241) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887241
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC NameN-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nnc(C4CC4)s3)CC2)ncn1
InChIInChI=1S/C14H18N6S/c1-2-10(1)13-18-19-14(21-13)20-7-4-11(5-8-20)17-12-3-6-15-9-16-12/h3,6,9-11H,1-2,4-5,7-8H2,(H,15,16,17)
InChIKeyMJRAJYFCSAPCGG-UHFFFAOYSA-N
XLogP2.29
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889699
N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887407
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887417
3-fluoro-5-[4-(pyrimidin-4-ylamino)piperidin-1-yl]benzonitrile
CID 171326868
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126887234
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 163345458
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887197

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887241) is N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(c3nnc(C4CC4)s3)CC2)ncn1.
What is the InChIKey of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is MJRAJYFCSAPCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-2-10(1)13-18-19-14(21-13)20-7-4-11(5-8-20)17-12-3-6-15-9-16-12/h3,6,9-11H,1-2,4-5,7-8H2,(H,15,16,17).
What are the key properties of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 302.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).