2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

C13H20N2O2S — CID 63938356

IUPAC2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)CC2CC2)sc1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-3-5-10-11(12(16)17)18-13(14-10)15(4-2)8-9-6-7-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyUTLPPGYOJRMQKM-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.03
Rot. Bonds7

About 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63938356) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID63938356
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)CC2CC2)sc1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-3-5-10-11(12(16)17)18-13(14-10)15(4-2)8-9-6-7-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyUTLPPGYOJRMQKM-UHFFFAOYSA-N
XLogP3.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63513767
2-[bis(cyclopropylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509404
2-[cyclohexyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765774
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112748
2-[2-(dimethylamino)ethyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63726540
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
2-(diethylamino)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360442
2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764608
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 63938356) is 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(CC)CC2CC2)sc1C(=O)O.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UTLPPGYOJRMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-5-10-11(12(16)17)18-13(14-10)15(4-2)8-9-6-7-9/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63938356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).