1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

C17H27N3S — CID 97232904

IUPAC1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1cnc([C@@H](NC2CCN(CC3CC3)CC2)C2CC2)s1
InChIInChI=1S/C17H27N3S/c1-12-10-18-17(21-12)16(14-4-5-14)19-15-6-8-20(9-7-15)11-13-2-3-13/h10,13-16,19H,2-9,11H2,1H3/t16-/m0/s1
InChIKeySXGCRXSKDWQYOJ-INIZCTEOSA-N
MW305.49 g/mol
LogP3.37
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 97232904) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID97232904
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1cnc([C@@H](NC2CCN(CC3CC3)CC2)C2CC2)s1
InChIInChI=1S/C17H27N3S/c1-12-10-18-17(21-12)16(14-4-5-14)19-15-6-8-20(9-7-15)11-13-2-3-13/h10,13-16,19H,2-9,11H2,1H3/t16-/m0/s1
InChIKeySXGCRXSKDWQYOJ-INIZCTEOSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 97232904) is 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is Cc1cnc([C@@H](NC2CCN(CC3CC3)CC2)C2CC2)s1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is SXGCRXSKDWQYOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3S/c1-12-10-18-17(21-12)16(14-4-5-14)19-15-6-8-20(9-7-15)11-13-2-3-13/h10,13-16,19H,2-9,11H2,1H3/t16-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 305.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 97232904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).