1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H13N3S2 — CID 115732631

IUPAC1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1csc(C(NCc2cncs2)C2CC2)n1
InChIInChI=1S/C11H13N3S2/c1-2-8(1)10(11-13-3-4-15-11)14-6-9-5-12-7-16-9/h3-5,7-8,10,14H,1-2,6H2
InChIKeyKMHHAEXKYXRSCI-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.84
Rot. Bonds5

About 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 115732631) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID115732631
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1csc(C(NCc2cncs2)C2CC2)n1
InChIInChI=1S/C11H13N3S2/c1-2-8(1)10(11-13-3-4-15-11)14-6-9-5-12-7-16-9/h3-5,7-8,10,14H,1-2,6H2
InChIKeyKMHHAEXKYXRSCI-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 115732631) is 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is c1csc(C(NCc2cncs2)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is KMHHAEXKYXRSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-2-8(1)10(11-13-3-4-15-11)14-6-9-5-12-7-16-9/h3-5,7-8,10,14H,1-2,6H2.
What are the key properties of 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 251.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(1,3-thiazol-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 115732631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).