4-(cyclopropylmethyl)-5-propyl-1,3-thiazole

C10H15NS — CID 88974495

IUPAC4-(cyclopropylmethyl)-5-propyl-1,3-thiazole
SMILESCCCc1scnc1CC1CC1
InChIInChI=1S/C10H15NS/c1-2-3-10-9(11-7-12-10)6-8-4-5-8/h7-8H,2-6H2,1H3
InChIKeyWLELMPHQDPPYRB-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.05
Rot. Bonds4

About 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole

4-(cyclopropylmethyl)-5-propyl-1,3-thiazole (PubChem CID 88974495) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-propyl-1,3-thiazole
PubChem CID88974495
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-(cyclopropylmethyl)-5-propyl-1,3-thiazole
SMILESCCCc1scnc1CC1CC1
InChIInChI=1S/C10H15NS/c1-2-3-10-9(11-7-12-10)6-8-4-5-8/h7-8H,2-6H2,1H3
InChIKeyWLELMPHQDPPYRB-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole?
The IUPAC name of 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole (CID 88974495) is 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole?
The canonical SMILES for 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole is CCCc1scnc1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole?
The InChIKey is WLELMPHQDPPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-3-10-9(11-7-12-10)6-8-4-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole?
4-(cyclopropylmethyl)-5-propyl-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-propyl-1,3-thiazole is sourced from PubChem (CID 88974495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).